molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4855542 |
|
IC50 |
= |
-23500.0 |
nM |
372.45 |
Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804419 |
cell-based format |
CHEMBL4855730 |
OBDepict
F
NH
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-11200.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804419 |
cell-based format |
CHEMBL4867931 |
OBDepict
H
3
C
O
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-5700.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804419 |
cell-based format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
43.5 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328492 |
single protein format |
CHEMBL4281823 |
OBDepict
CH
3
N
N
N
NH
2
N
O
O
F
F
F
|
IC50 |
= |
255.0 |
nM |
481.48 |
CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4261413 |
single protein format |
CHEMBL4859660 |
OBDepict
NH
2
N
F
+
N
O
NH
O
_
O
|
IC50 |
= |
300.0 |
nM |
378.36 |
Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804419 |
cell-based format |
CHEMBL2436978 |
OBDepict
CH
3
N
N
N
N
H
N
H
|
IC50 |
= |
661.0 |
nM |
421.55 |
CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 |
Homo sapiens |
CHEMBL2439759 |
single protein format |
CHEMBL4436748 |
OBDepict
O
N
H
NH
O
N
H
2
N
N
|
IC50 |
= |
910.0 |
nM |
459.59 |
Nc1c(C(=O)NCc2ccc(C(=O)NCCCC3CCCCC3)cc2)cnn1-c1ccccc1 |
Homo sapiens |
CHEMBL4324190 |
cell-based format |